N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride

C20H23ClN6O2 — CID 120960028

IUPACN-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride
SMILESCc1cccc(-c2nc(C3CNCCN3C)no2)c1NC(=O)c1ccncc1.Cl
InChIInChI=1S/C20H22N6O2.ClH/c1-13-4-3-5-15(17(13)23-19(27)14-6-8-21-9-7-14)20-24-18(25-28-20)16-12-22-10-11-26(16)2;/h3-9,16,22H,10-12H2,1-2H3,(H,23,27);1H
InChIKeyGWCGVPGDVJUTOJ-UHFFFAOYSA-N
MW414.90 g/mol
LogP2.69
Rot. Bonds4

About N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride

N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 120960028) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride
PubChem CID120960028
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC NameN-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride
SMILESCc1cccc(-c2nc(C3CNCCN3C)no2)c1NC(=O)c1ccncc1.Cl
InChIInChI=1S/C20H22N6O2.ClH/c1-13-4-3-5-15(17(13)23-19(27)14-6-8-21-9-7-14)20-24-18(25-28-20)16-12-22-10-11-26(16)2;/h3-9,16,22H,10-12H2,1-2H3,(H,23,27);1H
InChIKeyGWCGVPGDVJUTOJ-UHFFFAOYSA-N
XLogP2.69
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride (CID 120960028) is N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride is Cc1cccc(-c2nc(C3CNCCN3C)no2)c1NC(=O)c1ccncc1.Cl.
What is the InChIKey of N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is GWCGVPGDVJUTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2.ClH/c1-13-4-3-5-15(17(13)23-19(27)14-6-8-21-9-7-14)20-24-18(25-28-20)16-12-22-10-11-26(16)2;/h3-9,16,22H,10-12H2,1-2H3,(H,23,27);1H.
What are the key properties of N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride?
N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 414.90 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120960028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).